2-azanyl-5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-azanyl-5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxy-ethyl]-3-fluoro-benzonitrile CAS Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-fluorobenzonitrile IUPAC Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-fluorobenzonitrile Traditional Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxy-ethyl]-3-fluoro-benzonitrile Formula: C13H18FN3O MolecularWeight: 251.299923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=C(C(=C1)C#N)N)F)O

Isomeric SMILES

CC(C)(C)NCC(C1=CC(=C(C(=C1)C#N)N)F)O

InChI

InChI=1S/C13H18FN3O/c1-13(2,3)17-7-11(18)8-4-9(6-15)12(16)10(14)5-8/h4-5,11,17-18H,7,16H2,1-3H3